6PWY
Structure of C. elegans ZK177.8, SAMHD1 ortholog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.681, 90.557, 93.357 |
| Unit cell angles | 65.58, 65.49, 86.22 |
Refinement procedure
| Resolution | 46.030 - 1.810 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.704 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BUCCANEER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.099 | 0.045 | 0.728 |
| Rmeas | 0.129 | 0.057 | 0.956 |
| Rpim | 0.082 | 0.034 | 0.614 |
| Total number of observations | 417412 | ||
| Number of reflections | 209546 | 10844 | 10114 |
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 94.1 | 97.3 | 91.3 |
| Redundancy | 2 | 2.3 | 2 |
| CC(1/2) | 0.994 | 0.163 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 298 | 0.1 M SPG, pH 5.5, 20% w/v PEG3350 |
